3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one

C13H19F2NO — CID 165398045

IUPAC3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
SMILESCc1cc(C(C)C)c(C(F)F)c(=O)n1C(C)C
InChIInChI=1S/C13H19F2NO/c1-7(2)10-6-9(5)16(8(3)4)13(17)11(10)12(14)15/h6-8,12H,1-5H3
InChIKeyJPNPMTQYCSHIPX-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.80
Rot. Bonds3

About 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one

3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one (PubChem CID 165398045) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
PubChem CID165398045
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
SMILESCc1cc(C(C)C)c(C(F)F)c(=O)n1C(C)C
InChIInChI=1S/C13H19F2NO/c1-7(2)10-6-9(5)16(8(3)4)13(17)11(10)12(14)15/h6-8,12H,1-5H3
InChIKeyJPNPMTQYCSHIPX-UHFFFAOYSA-N
XLogP3.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one (CID 165398045) is 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one is Cc1cc(C(C)C)c(C(F)F)c(=O)n1C(C)C.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one?
The InChIKey is JPNPMTQYCSHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-7(2)10-6-9(5)16(8(3)4)13(17)11(10)12(14)15/h6-8,12H,1-5H3.
What are the key properties of 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one?
3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one has a molecular weight of 243.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 165398045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).